General Information of the Compound
| Compound ID |
CP0433389
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| Compound Name |
(R)-3-(3-(5-Benzyl-4,5-dihydroisoxazol-3-yl)phenyl)-2-ethoxypropanoicAcid
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| Structure |
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| Formula |
C21H23NO4
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| Molecular Weight |
353.418
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| Canonical SMILES |
CCO[C@H](Cc1cccc(c1)C1=NOC(Cc2ccccc2)C1)C(O)=O
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| InChI |
InChI=1S/C21H23NO4/c1-2-25-20(21(23)24)13-16-9-6-10-17(11-16)19-14-18(26-22-19)12-15-7-4-3-5-8-15/h3-11,18,20H,2,12-14H2,1H3,(H,23,24)/t18?,20-/m1/s1
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| InChIKey |
RMJMVMTVRSFGAV-ROPPNANJSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound